2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one

C15H10ClFOS — CID 86212326

IUPAC2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one
SMILESO=C1c2ccccc2CC1(F)Sc1ccc(Cl)cc1
InChIInChI=1S/C15H10ClFOS/c16-11-5-7-12(8-6-11)19-15(17)9-10-3-1-2-4-13(10)14(15)18/h1-8H,9H2
InChIKeyHORJFBUCRJNZQV-UHFFFAOYSA-N
MW292.76 g/mol
LogP4.54
Rot. Bonds2

About 2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one

2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one (PubChem CID 86212326) has the molecular formula C15H10ClFOS and a molecular weight of 292.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one
PubChem CID86212326
Molecular FormulaC15H10ClFOS
Molecular Weight292.76 g/mol
Exact Mass292.01
IUPAC Name2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one
SMILESO=C1c2ccccc2CC1(F)Sc1ccc(Cl)cc1
InChIInChI=1S/C15H10ClFOS/c16-11-5-7-12(8-6-11)19-15(17)9-10-3-1-2-4-13(10)14(15)18/h1-8H,9H2
InChIKeyHORJFBUCRJNZQV-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one
CID 11322579
2-phenyl-2-phenylsulfanyl-3H-inden-1-one
CID 12958818
(2S)-2-[(4-chlorophenyl)methyl]-2-fluoro-3,4-dihydronaphthalen-1-one
CID 135054407
2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
CID 59717541
(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one
CID 134956870
3-(4-chlorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 127256723
2,2-bis(trifluoromethyl)-3H-inden-1-one
CID 10015841
2-[difluoro(iodo)methyl]-2-methyl-3H-inden-1-one
CID 46831315
2-methyl-2-nitroso-3H-inden-1-one
CID 86209895
(2S,3'S)-3'-(4-chlorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 6933126
2-azido-2-fluoro-3H-inden-1-one
CID 176914009
2,6-dichloro-2-fluoro-3H-inden-1-one
CID 154723310

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one (CID 86212326) is 2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one is O=C1c2ccccc2CC1(F)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one?
The InChIKey is HORJFBUCRJNZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFOS/c16-11-5-7-12(8-6-11)19-15(17)9-10-3-1-2-4-13(10)14(15)18/h1-8H,9H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one?
2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one has a molecular weight of 292.76 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one is sourced from PubChem (CID 86212326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).